UCSF

ZINC05986285

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 7.47 -54.96 0 7 -1 96 389.387 6
Mid Mid (pH 6-8) 1.80 0.24 -13.46 1 7 0 92 390.395 6
Lo Low (pH 4.5-6) 1.22 0.12 -13.73 0 7 0 89 390.395 6
Lo Low (pH 4.5-6) 1.80 0.35 -52.42 2 7 1 94 391.403 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )